Binding information for 2nqg_ligand_4_560.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nqg_ligand_4_560.mol2 | 2nqg | 1 | -5.63 | C(C)NC(=O)[C@H](C)O | 8 |
Structure and binding mode of 2nqg_ligand_4_560.mol2(FDBF06098)
Important binding residues for 2nqg_ligand_4_560.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nqg | TRP116 | -0.15 | -1.81 | -1.96 | 1.47 | -0.50 |
| 2nqg | GLY207 | -0.87 | -1.42 | -2.29 | 1.13 | -1.15 |
| 2nqg | GLY208 | -0.76 | -0.91 | -1.67 | 0.97 | -0.70 |
| 2nqg | GLY271 | -1.02 | -2.04 | -3.06 | 2.65 | -0.40 |
| 2nqg | HIS272 | -0.78 | -0.58 | -1.36 | 0.91 | -0.44 |
